[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate

C13H19NO3 — CID 151194461

IUPAC[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate
SMILESCC(C)(CCc1ccc(CO)cc1)OC(N)=O
InChIInChI=1S/C13H19NO3/c1-13(2,17-12(14)16)8-7-10-3-5-11(9-15)6-4-10/h3-6,15H,7-9H2,1-2H3,(H2,14,16)
InChIKeyNGZQPMJAORHXPP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.99
Rot. Bonds5

About [4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate

[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate (PubChem CID 151194461) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is [4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate
PubChem CID151194461
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate
SMILESCC(C)(CCc1ccc(CO)cc1)OC(N)=O
InChIInChI=1S/C13H19NO3/c1-13(2,17-12(14)16)8-7-10-3-5-11(9-15)6-4-10/h3-6,15H,7-9H2,1-2H3,(H2,14,16)
InChIKeyNGZQPMJAORHXPP-UHFFFAOYSA-N
XLogP1.99
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-bromophenyl)-2-methylbutan-2-yl] carbamate
CID 151939532
[4-(1-benzothiophen-6-yl)-2-methylbutan-2-yl] carbamate
CID 151477380
[2-methyl-4-[4-[(1H-pyrazole-4-carbonylamino)methyl]phenyl]butan-2-yl] carbamate
CID 174936365
2-[4-(hydroxymethyl)phenyl]ethyl carbamate
CID 67217532
[4-(1-aminoisoquinolin-6-yl)-2-methylbutan-2-yl] carbamate
CID 151804979
bis(2-methyl-4-phenylbutan-2-yl) oxalate
CID 163946478
ethane;[4-[2-[4-(hydroxymethyl)phenyl]ethyl]phenyl]methanol
CID 144873732
[1-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropan-2-yl] carbamate
CID 152688524
[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate
CID 151461309
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
tert-butyl carbamate;5,6,7,8-tetrahydronaphthalen-2-ylmethanol
CID 143068293
tert-butyl carbamate;4-propylaniline
CID 174513475

Frequently Asked Questions

What is the IUPAC name of [4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate?
The IUPAC name of [4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate (CID 151194461) is [4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate.
What is the SMILES notation for [4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate?
The canonical SMILES for [4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate is CC(C)(CCc1ccc(CO)cc1)OC(N)=O.
What is the InChIKey of [4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate?
The InChIKey is NGZQPMJAORHXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,17-12(14)16)8-7-10-3-5-11(9-15)6-4-10/h3-6,15H,7-9H2,1-2H3,(H2,14,16).
What are the key properties of [4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate?
[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate has a molecular weight of 237.30 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate is sourced from PubChem (CID 151194461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).